==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 19-OCT-10 3PAA . COMPND 2 MOLECULE: ASPARTATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.LIU,E.POZHARSKI,M.FU,R.B.SILVERMAN,D.RINGE . 395 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18209.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 279 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 24 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 155 39.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 0 0 0 2 2 0 3 1 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 2 A F > 0 0 209 0, 0.0 3,-1.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -6.6 39.0 15.2 13.1 2 3 A E T 3 + 0 0 170 1,-0.3 0, 0.0 0, 0.0 0, 0.0 0.771 360.0 36.1 -55.4 -30.0 40.4 18.7 13.8 3 4 A N T 3 S+ 0 0 143 2,-0.1 -1,-0.3 0, 0.0 2,-0.1 0.296 79.7 132.4-111.4 11.2 42.5 18.8 10.6 4 5 A I < - 0 0 126 -3,-1.5 2,-0.3 1,-0.1 0, 0.0 -0.399 54.2-130.3 -65.0 133.8 40.4 17.1 8.1 5 6 A T - 0 0 128 -2,-0.1 -1,-0.1 1,-0.1 -2,-0.1 -0.708 27.7-107.5 -84.5 138.0 40.1 19.0 4.8 6 7 A A - 0 0 88 -2,-0.3 3,-0.1 1,-0.1 -1,-0.1 -0.273 34.1-107.8 -62.0 147.0 36.5 19.5 3.5 7 8 A A - 0 0 82 1,-0.1 -1,-0.1 3,-0.0 3,-0.0 -0.424 46.7 -91.2 -67.5 149.6 35.5 17.6 0.4 8 9 A P - 0 0 119 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.374 53.8 -92.2 -57.0 140.3 35.2 19.7 -2.7 9 10 A A - 0 0 94 1,-0.1 -3,-0.0 -3,-0.1 0, 0.0 -0.810 35.6-127.8 -65.1 123.0 31.7 21.1 -3.2 10 11 A D > - 0 0 87 -2,-0.6 4,-1.6 1,-0.3 -1,-0.1 -0.417 14.7-148.3 75.3 62.8 29.8 19.3 -5.0 11 12 A P T 4 S+ 0 0 85 0, 0.0 2,-3.5 0, 0.0 -1,-0.3 -0.026 85.3 55.6 -73.2-164.0 28.1 21.0 -8.0 12 13 A I T > S+ 0 0 113 1,-0.3 4,-2.2 20,-0.0 21,-0.1 -0.255 118.0 43.0 68.1 -56.1 24.7 19.6 -8.9 13 14 A L H > S+ 0 0 72 -2,-3.5 4,-3.0 2,-0.2 -1,-0.3 0.889 116.4 46.5 -78.2 -45.8 23.8 20.4 -5.3 14 15 A G H X S+ 0 0 28 -4,-1.6 4,-1.8 2,-0.2 5,-0.1 0.900 117.5 44.8 -57.0 -42.3 25.6 23.7 -5.6 15 16 A L H > S+ 0 0 19 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.933 112.3 50.9 -66.2 -48.3 23.7 24.1 -8.9 16 17 A A H X S+ 0 0 22 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.881 110.9 49.8 -55.4 -43.0 20.4 22.9 -7.3 17 18 A D H X S+ 0 0 70 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.872 110.4 48.2 -66.8 -40.8 20.9 25.4 -4.5 18 19 A L H X S+ 0 0 79 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.919 111.8 51.7 -64.7 -44.1 21.6 28.4 -6.8 19 20 A F H < S+ 0 0 40 -4,-2.6 3,-0.2 1,-0.2 -2,-0.2 0.910 110.0 48.1 -57.7 -46.4 18.5 27.4 -8.8 20 21 A R H < S+ 0 0 148 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.939 111.2 50.4 -61.4 -45.4 16.3 27.3 -5.8 21 22 A A H < S+ 0 0 75 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.760 85.5 105.6 -64.5 -27.6 17.5 30.7 -4.5 22 23 A D < - 0 0 21 -4,-1.6 5,-0.1 -3,-0.2 -3,-0.0 -0.345 52.6-165.8 -62.6 121.8 16.9 32.4 -7.9 23 24 A E + 0 0 191 -2,-0.2 -1,-0.1 3,-0.0 -2,-0.0 0.465 46.3 120.7 -94.0 2.3 13.8 34.6 -7.8 24 25 A R > - 0 0 82 2,-0.1 3,-1.5 1,-0.0 -2,-0.0 -0.471 59.9-137.9 -70.8 134.9 13.4 35.1 -11.5 25 26 A P T 3 S+ 0 0 134 0, 0.0 -1,-0.0 0, 0.0 340,-0.0 0.733 97.9 52.7 -24.3 -87.1 10.1 33.9 -13.1 26 27 A G T 3 S+ 0 0 54 338,-0.1 -2,-0.1 2,-0.0 -3,-0.0 -0.370 74.0 139.5 115.3 -56.3 11.4 32.6 -15.7 27 28 A K < - 0 0 55 -3,-1.5 2,-0.4 -5,-0.1 339,-0.2 -0.099 27.3-164.3 -67.5 148.8 14.2 30.2 -14.5 28 29 A I E -a 366 0A 10 337,-2.8 339,-3.0 336,-0.1 2,-0.8 -0.996 9.4-149.3-137.6 128.8 14.9 26.8 -16.1 29 30 A N E +a 367 0A 20 -2,-0.4 3,-0.3 337,-0.2 339,-0.1 -0.856 28.7 157.2-103.6 104.6 17.0 23.9 -14.7 30 31 A L + 0 0 1 337,-2.8 345,-1.9 -2,-0.8 339,-0.3 0.312 64.4 80.5 -99.8 4.6 18.7 21.8 -17.3 31 32 A G + 0 0 7 336,-0.4 -1,-0.2 337,-0.2 337,-0.1 0.392 65.2 123.2 -90.1 4.0 21.3 20.6 -14.8 32 33 A I - 0 0 20 -3,-0.3 346,-0.1 335,-0.2 345,-0.1 -0.229 54.3-150.7 -64.3 152.2 19.0 18.0 -13.3 33 34 A G + 0 0 34 2,-0.1 -1,-0.1 -21,-0.1 2,-0.1 0.717 69.5 72.1 -94.4 -18.3 20.0 14.3 -13.2 34 35 A V S S- 0 0 41 1,-0.1 2,-0.2 341,-0.1 343,-0.1 -0.410 85.7 -97.3-102.5 162.3 16.5 12.7 -13.4 35 36 A Y - 0 0 18 -2,-0.1 2,-0.3 210,-0.1 -1,-0.1 -0.523 37.9-169.5 -66.6 143.6 13.8 12.3 -15.9 36 37 A K - 0 0 53 -2,-0.2 6,-0.2 6,-0.1 343,-0.1 -0.989 13.2-135.5-133.5 143.9 11.0 14.9 -15.8 37 38 A D > - 0 0 25 4,-2.7 3,-2.0 -2,-0.3 276,-0.0 -0.138 44.6 -78.0 -86.5-170.9 7.7 14.7 -17.7 38 39 A E T 3 S+ 0 0 116 1,-0.3 344,-0.2 2,-0.1 -1,-0.1 0.689 131.3 53.9 -66.0 -18.8 6.0 17.5 -19.6 39 40 A T T 3 S- 0 0 92 2,-0.1 -1,-0.3 341,-0.0 3,-0.1 0.445 119.2-107.1 -92.3 -2.2 4.7 19.0 -16.3 40 41 A G S < S+ 0 0 32 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.659 79.4 126.1 85.7 15.4 8.2 19.1 -14.7 41 42 A K - 0 0 133 2,-0.0 -4,-2.7 0, 0.0 -1,-0.3 -0.733 56.1-149.6-107.9 156.8 7.5 16.2 -12.4 42 43 A T - 0 0 59 -2,-0.3 -6,-0.1 -6,-0.2 3,-0.1 -0.771 36.3-173.6-116.2 74.8 9.4 13.0 -11.7 43 44 A P - 0 0 67 0, 0.0 2,-0.3 0, 0.0 3,-0.0 -0.274 32.7 -99.9 -74.1 164.3 6.3 10.8 -10.7 44 45 A V - 0 0 69 1,-0.1 204,-0.1 205,-0.0 205,-0.1 -0.640 51.9-107.2 -72.0 132.9 6.3 7.3 -9.4 45 46 A L > - 0 0 18 202,-0.5 4,-2.6 -2,-0.3 5,-0.2 -0.349 17.1-126.2 -63.5 148.0 5.5 5.1 -12.4 46 47 A T H > S+ 0 0 83 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.920 112.8 54.0 -61.5 -44.0 2.0 3.6 -12.4 47 48 A S H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.885 110.0 49.8 -55.2 -38.7 3.5 0.0 -12.9 48 49 A V H > S+ 0 0 2 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.941 108.8 49.3 -68.0 -49.8 5.6 0.8 -9.7 49 50 A K H X S+ 0 0 124 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.902 112.0 50.3 -54.0 -43.6 2.6 2.0 -7.6 50 51 A K H X S+ 0 0 107 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.935 112.0 46.9 -62.3 -44.5 0.7 -1.2 -8.7 51 52 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.916 110.1 52.8 -63.6 -42.6 3.6 -3.4 -7.7 52 53 A E H X S+ 0 0 43 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.872 107.8 51.9 -61.8 -36.7 4.0 -1.5 -4.3 53 54 A Q H X S+ 0 0 120 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.937 109.2 50.0 -63.4 -45.3 0.4 -2.1 -3.6 54 55 A Y H X S+ 0 0 128 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.898 111.8 47.9 -58.8 -45.0 0.8 -5.9 -4.3 55 56 A L H X S+ 0 0 11 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.894 108.7 53.3 -63.8 -41.7 3.8 -6.0 -2.0 56 57 A L H < S+ 0 0 151 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.907 115.4 42.5 -58.6 -39.0 2.0 -4.2 0.8 57 58 A E H < S+ 0 0 124 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.783 125.2 32.1 -75.3 -29.0 -0.8 -6.8 0.5 58 59 A N H < S+ 0 0 79 -4,-1.8 -3,-0.2 -5,-0.2 -2,-0.2 0.714 84.2 103.6-111.7 -22.0 1.4 -9.8 0.2 59 60 A E < + 0 0 65 -4,-2.7 3,-0.1 -5,-0.2 -4,-0.0 -0.444 33.7 174.1 -66.9 133.8 4.6 -9.4 2.1 60 61 A T + 0 0 141 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.333 64.2 23.5-119.0 -0.2 4.6 -11.4 5.4 61 62 A T - 0 0 94 2,-0.1 -1,-0.2 1,-0.0 0, 0.0 -0.985 47.6-152.2-157.4 155.9 8.3 -10.8 6.5 62 63 A K + 0 0 163 -2,-0.3 3,-0.1 -3,-0.1 225,-0.1 0.037 47.5 153.0-109.9 21.7 11.2 -8.4 6.0 63 64 A N - 0 0 117 1,-0.1 -2,-0.1 0, 0.0 0, 0.0 -0.197 56.5 -80.3 -53.4 142.5 13.7 -11.3 6.7 64 65 A Y - 0 0 177 1,-0.1 2,-0.1 220,-0.0 -1,-0.1 -0.005 39.6-129.9 -46.4 138.7 17.1 -10.7 5.0 65 66 A L - 0 0 43 220,-0.3 5,-0.1 1,-0.2 -1,-0.1 -0.464 39.4 -89.1 -70.9 160.5 17.6 -11.4 1.4 66 67 A G > - 0 0 44 3,-0.4 3,-2.0 -2,-0.1 -1,-0.2 -0.217 48.1 -95.1 -58.8 165.6 20.6 -13.6 0.4 67 68 A I T 3 S+ 0 0 52 1,-0.3 -1,-0.1 217,-0.2 -2,-0.1 0.859 129.3 47.5 -56.8 -37.2 23.8 -11.6 -0.2 68 69 A D T 3 S- 0 0 46 1,-0.3 30,-2.4 29,-0.1 -1,-0.3 0.396 109.6-135.1 -88.0 4.1 23.0 -11.6 -4.0 69 70 A G < + 0 0 5 -3,-2.0 -3,-0.4 28,-0.2 -1,-0.3 -0.399 55.9 2.2 83.7-156.4 19.4 -10.5 -3.4 70 71 A I > - 0 0 31 1,-0.1 4,-1.7 -2,-0.1 3,-0.3 -0.534 57.8-144.5 -76.5 120.9 16.1 -11.8 -5.0 71 72 A P H > S+ 0 0 92 0, 0.0 4,-2.3 0, 0.0 3,-0.3 0.915 100.2 52.1 -48.9 -48.0 16.6 -14.8 -7.4 72 73 A E H > S+ 0 0 61 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.862 106.3 54.6 -60.5 -37.6 13.8 -13.6 -9.7 73 74 A F H > S+ 0 0 0 -3,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.905 108.9 48.7 -58.5 -44.1 15.4 -10.2 -9.9 74 75 A G H X S+ 0 0 10 -4,-1.7 4,-2.5 -3,-0.3 -2,-0.2 0.918 112.6 47.5 -64.9 -42.3 18.7 -11.8 -11.0 75 76 A R H X S+ 0 0 130 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.922 113.6 46.1 -66.6 -46.8 17.0 -13.9 -13.7 76 77 A C H X S+ 0 0 7 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.864 112.0 53.4 -62.0 -39.7 15.0 -11.0 -15.1 77 78 A T H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.938 107.9 48.8 -58.8 -51.5 18.1 -8.9 -15.1 78 79 A Q H X S+ 0 0 24 -4,-2.5 4,-3.1 1,-0.2 5,-0.5 0.887 110.7 51.5 -60.3 -38.2 20.1 -11.5 -17.1 79 80 A E H X S+ 0 0 74 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.916 110.0 49.1 -63.8 -43.2 17.3 -11.8 -19.7 80 81 A L H < S+ 0 0 1 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.912 118.7 40.3 -58.2 -43.2 17.2 -8.0 -20.1 81 82 A L H < S+ 0 0 0 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.926 131.9 19.0 -72.1 -48.4 21.0 -7.9 -20.6 82 83 A F H < S- 0 0 11 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.627 106.9-107.8-106.7 -18.5 21.7 -11.0 -22.7 83 84 A G >< - 0 0 6 -4,-1.9 3,-1.8 -5,-0.5 6,-0.2 0.231 41.7 -71.4 96.1 139.8 18.3 -11.9 -24.3 84 85 A K T 3 S+ 0 0 173 1,-0.3 -5,-0.0 -5,-0.1 0, 0.0 -0.397 124.8 24.8 -61.3 136.3 16.0 -14.8 -23.5 85 86 A G T 3 S+ 0 0 54 1,-0.2 -1,-0.3 -2,-0.1 -2,-0.1 0.562 86.3 161.0 80.2 8.2 17.7 -18.0 -24.8 86 87 A S <> - 0 0 20 -3,-1.8 4,-2.7 1,-0.1 3,-0.3 -0.333 46.5-131.2 -57.8 140.0 21.2 -16.5 -24.5 87 88 A A H > S+ 0 0 56 1,-0.2 4,-3.0 2,-0.2 6,-0.2 0.852 108.3 60.7 -58.9 -37.1 24.0 -19.1 -24.5 88 89 A L H 4>S+ 0 0 9 2,-0.2 5,-2.5 1,-0.2 6,-0.6 0.877 110.7 40.1 -59.0 -38.6 25.5 -17.3 -21.5 89 90 A I H >45S+ 0 0 45 -3,-0.3 3,-1.9 -6,-0.2 -2,-0.2 0.949 115.9 49.0 -74.9 -51.4 22.3 -18.0 -19.6 90 91 A N H 3<5S+ 0 0 111 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.881 113.5 47.3 -53.9 -39.7 21.8 -21.5 -20.9 91 92 A D T 3<5S- 0 0 97 -4,-3.0 173,-0.4 -5,-0.2 -1,-0.3 0.365 109.5-125.2 -87.8 4.5 25.5 -22.4 -20.0 92 93 A K T < 5 + 0 0 147 -3,-1.9 -3,-0.2 -5,-0.1 175,-0.1 0.857 64.8 140.1 53.8 43.7 25.1 -20.8 -16.6 93 94 A R < + 0 0 35 -5,-2.5 168,-2.1 -6,-0.2 2,-0.4 0.456 50.7 71.8 -92.8 -3.7 28.1 -18.5 -17.2 94 95 A A E -B 260 0B 7 -6,-0.6 2,-0.4 166,-0.2 166,-0.2 -0.928 53.8-174.8-122.6 138.4 26.6 -15.5 -15.5 95 96 A R E -B 259 0B 66 164,-2.5 164,-2.9 -2,-0.4 2,-0.4 -0.995 12.9-155.8-129.1 137.0 25.9 -14.7 -11.8 96 97 A T E -B 258 0B 11 -2,-0.4 2,-0.5 162,-0.2 162,-0.2 -0.955 7.8-164.1-119.9 129.3 24.0 -11.6 -10.7 97 98 A A E -B 257 0B 0 160,-3.0 160,-2.9 -2,-0.4 2,-0.2 -0.956 22.8-132.5-104.8 125.6 24.1 -9.7 -7.4 98 99 A Q E -B 256 0B 1 -30,-2.4 158,-0.3 -2,-0.5 156,-0.1 -0.569 37.5-174.7 -64.8 135.6 21.3 -7.3 -6.8 99 100 A T E -B 255 0B 0 156,-2.3 156,-2.0 -2,-0.2 2,-1.9 -0.869 38.9 -88.4-135.3 163.1 23.0 -4.1 -5.5 100 101 A P S > S- 0 0 30 0, 0.0 4,-1.4 0, 0.0 154,-0.3 -0.555 93.2 -51.4 -73.1 82.7 22.1 -0.6 -4.1 101 102 A G H > S- 0 0 0 -2,-1.9 4,-1.7 152,-0.4 154,-0.3 -0.012 79.3 -62.5 81.2 174.8 21.8 1.1 -7.5 102 103 A G H > S+ 0 0 8 152,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.857 135.8 55.2 -59.8 -39.2 24.2 1.2 -10.4 103 104 A T H > S+ 0 0 42 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.945 106.4 50.4 -61.9 -48.1 26.8 3.0 -8.2 104 105 A G H X S+ 0 0 12 -4,-1.4 4,-2.4 1,-0.2 -1,-0.2 0.882 110.0 51.3 -53.6 -41.0 26.6 0.1 -5.7 105 106 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.900 110.0 48.8 -66.0 -41.8 27.1 -2.3 -8.6 106 107 A L H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.881 112.4 48.0 -61.8 -45.0 30.2 -0.4 -9.8 107 108 A R H X S+ 0 0 84 -4,-2.7 4,-3.1 2,-0.2 5,-0.3 0.905 111.4 49.8 -65.9 -40.8 31.7 -0.3 -6.3 108 109 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.922 112.1 48.4 -60.8 -46.1 31.1 -4.1 -5.8 109 110 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.949 114.0 47.8 -57.2 -47.1 32.7 -4.8 -9.2 110 111 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.917 113.7 44.6 -62.3 -47.0 35.7 -2.5 -8.2 111 112 A D H X S+ 0 0 31 -4,-3.1 4,-2.3 2,-0.2 5,-0.2 0.917 113.9 51.7 -64.3 -44.9 36.2 -4.1 -4.7 112 113 A F H X S+ 0 0 13 -4,-2.6 4,-2.0 -5,-0.3 -2,-0.2 0.936 114.1 42.6 -53.3 -51.1 35.8 -7.6 -6.2 113 114 A L H X S+ 0 0 3 -4,-2.7 4,-1.6 -5,-0.2 6,-0.4 0.908 113.6 51.0 -65.5 -44.9 38.5 -6.8 -8.8 114 115 A A H < S+ 0 0 26 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.878 118.6 37.3 -61.1 -39.0 40.9 -5.0 -6.5 115 116 A K H < S+ 0 0 161 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.773 127.1 29.9 -85.3 -29.5 40.8 -7.9 -3.9 116 117 A N H < S+ 0 0 60 -4,-2.0 2,-0.3 -5,-0.2 -2,-0.2 0.416 114.1 43.6-118.8 -1.2 40.7 -11.0 -6.1 117 118 A T S < S- 0 0 58 -4,-1.6 0, 0.0 -5,-0.2 0, 0.0 -0.839 80.8-106.6-137.7 176.2 42.5 -10.1 -9.4 118 119 A S S S+ 0 0 88 -2,-0.3 -4,-0.1 54,-0.0 -5,-0.1 0.412 70.1 134.6 -86.1 1.4 45.6 -8.4 -10.7 119 120 A V + 0 0 12 -6,-0.4 -2,-0.2 1,-0.2 53,-0.1 -0.276 15.8 157.0 -55.1 128.5 43.6 -5.4 -12.0 120 121 A K + 0 0 136 1,-0.2 22,-2.8 51,-0.2 2,-0.4 0.524 58.3 48.8-121.2 -15.1 45.2 -2.1 -11.1 121 122 A R E -c 142 0B 49 50,-0.2 52,-2.4 20,-0.2 2,-0.4 -0.984 53.3-163.4-141.4 137.2 43.7 0.2 -13.7 122 123 A V E -cd 143 173B 0 20,-3.0 22,-2.4 -2,-0.4 2,-0.5 -0.982 17.1-143.5-121.0 128.4 40.3 1.1 -15.2 123 124 A W E -cd 144 174B 2 50,-2.9 52,-3.1 -2,-0.4 2,-0.3 -0.819 22.0-177.9 -92.5 125.8 40.0 3.0 -18.5 124 125 A V E -c 145 0B 6 20,-2.8 22,-2.1 -2,-0.5 4,-0.1 -0.928 29.2-103.6-123.8 145.9 37.1 5.5 -18.7 125 126 A S E -c 146 0B 0 -2,-0.3 22,-0.2 50,-0.3 23,-0.1 -0.279 41.5 -99.4 -66.0 149.3 36.0 7.7 -21.6 126 127 A N E S+c 147 0B 84 20,-2.3 23,-1.3 1,-0.1 22,-0.7 -0.964 112.6 27.4-106.6 111.6 36.8 11.3 -21.7 127 128 A P S S+ 0 0 22 0, 0.0 2,-0.3 0, 0.0 57,-0.2 0.606 88.6 144.8 -86.7 171.0 34.3 12.7 -20.7 128 129 A S - 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0 0 57 0, 0.0 4,-0.8 0, 0.0 5,-0.1 -0.460 33.5-156.7 -70.4 127.1 17.5 -3.4 -0.0 287 288 A A H > S+ 0 0 38 -2,-0.2 4,-3.0 1,-0.1 5,-0.3 0.862 73.0 70.5 -72.5 -41.0 14.4 -5.4 -0.9 288 289 A H H > S+ 0 0 56 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.893 103.2 37.3 -54.9 -57.2 11.7 -2.9 -1.7 289 290 A G H > S+ 0 0 0 -37,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.902 120.1 46.4 -60.4 -46.7 12.9 -1.4 -5.1 290 291 A A H X S+ 0 0 1 -4,-0.8 4,-2.9 -38,-0.2 -1,-0.2 0.846 110.3 53.9 -67.7 -34.7 14.3 -4.7 -6.4 291 292 A S H X S+ 0 0 20 -4,-3.0 4,-2.8 2,-0.2 -1,-0.2 0.901 107.2 51.6 -64.7 -40.1 11.1 -6.5 -5.4 292 293 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.940 111.8 47.5 -57.1 -49.5 9.1 -3.9 -7.3 293 294 A V H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.942 114.0 45.5 -58.4 -50.8 11.3 -4.6 -10.4 294 295 A A H X S+ 0 0 7 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.908 111.9 52.9 -59.8 -44.0 11.1 -8.4 -10.1 295 296 A T H < S+ 0 0 23 -4,-2.8 -1,-0.2 -5,-0.2 4,-0.2 0.915 115.3 41.1 -54.6 -47.5 7.3 -8.2 -9.6 296 297 A I H >< S+ 0 0 0 -4,-2.3 3,-1.5 -5,-0.2 7,-0.5 0.958 115.2 47.7 -68.1 -53.5 6.9 -6.1 -12.8 297 298 A L H 3< S+ 0 0 9 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.801 113.3 49.0 -62.5 -28.7 9.3 -7.9 -15.0 298 299 A S T 3< S+ 0 0 66 -4,-2.0 2,-0.5 -5,-0.3 -1,-0.3 0.357 99.8 74.6 -94.9 4.9 7.9 -11.3 -14.1 299 300 A N <> - 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